2-chloro-N-(3-ethylcyclopentyl)-4-iodoaniline

C13H17ClIN — CID 64502131

IUPAC2-chloro-N-(3-ethylcyclopentyl)-4-iodoaniline
SMILESCCC1CCC(Nc2ccc(I)cc2Cl)C1
InChIInChI=1S/C13H17ClIN/c1-2-9-3-5-11(7-9)16-13-6-4-10(15)8-12(13)14/h4,6,8-9,11,16H,2-3,5,7H2,1H3
InChIKeyLEBWKEOUIATQIN-UHFFFAOYSA-N
MW349.64 g/mol
LogP4.94
Rot. Bonds3

About 2-chloro-N-(3-ethylcyclopentyl)-4-iodoaniline

2-chloro-N-(3-ethylcyclopentyl)-4-iodoaniline (PubChem CID 64502131) has the molecular formula C13H17ClIN and a molecular weight of 349.64 g/mol. Its IUPAC name is 2-chloro-N-(3-ethylcyclopentyl)-4-iodoaniline.

Molecular Properties

Compound Name2-chloro-N-(3-ethylcyclopentyl)-4-iodoaniline
PubChem CID64502131
Molecular FormulaC13H17ClIN
Molecular Weight349.64 g/mol
Exact Mass349.01
IUPAC Name2-chloro-N-(3-ethylcyclopentyl)-4-iodoaniline
SMILESCCC1CCC(Nc2ccc(I)cc2Cl)C1
InChIInChI=1S/C13H17ClIN/c1-2-9-3-5-11(7-9)16-13-6-4-10(15)8-12(13)14/h4,6,8-9,11,16H,2-3,5,7H2,1H3
InChIKeyLEBWKEOUIATQIN-UHFFFAOYSA-N
XLogP4.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.64
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-ethylcyclopentyl)-4-iodoaniline?
The IUPAC name of 2-chloro-N-(3-ethylcyclopentyl)-4-iodoaniline (CID 64502131) is 2-chloro-N-(3-ethylcyclopentyl)-4-iodoaniline.
What is the SMILES notation for 2-chloro-N-(3-ethylcyclopentyl)-4-iodoaniline?
The canonical SMILES for 2-chloro-N-(3-ethylcyclopentyl)-4-iodoaniline is CCC1CCC(Nc2ccc(I)cc2Cl)C1.
What is the InChIKey of 2-chloro-N-(3-ethylcyclopentyl)-4-iodoaniline?
The InChIKey is LEBWKEOUIATQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClIN/c1-2-9-3-5-11(7-9)16-13-6-4-10(15)8-12(13)14/h4,6,8-9,11,16H,2-3,5,7H2,1H3.
What are the key properties of 2-chloro-N-(3-ethylcyclopentyl)-4-iodoaniline?
2-chloro-N-(3-ethylcyclopentyl)-4-iodoaniline has a molecular weight of 349.64 g/mol, XLogP of 4.94, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-ethylcyclopentyl)-4-iodoaniline is sourced from PubChem (CID 64502131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).